RefChem:507884
TL;DR: RefChem:507884 (CAS 24765-31-9) is a chemical compound with molecular formula C21H26N4O4S2 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, 5-(5-(1,3-diethylhexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene)-1,3-diethyldihydro-2-thioxo-, 4,6(1H,5H)-Pyrimidinedione, 5-(5-(1,3-diethylhexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2,4-pentadienylidene)-1,3-diethyldihydro-2-thioxo-, 4,6(1H,5H)-Pyrimidinedione, 5-[5-(1,3-diethylhexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-1,3-diethyldihydro-2-thioxo-, 4,6(1H,5H)-Pyrimidinedione, 5-[5-(1,3-diethylhexahydro-4,6-dioxo-2-thioxo-5-pyrimidinyl)-2,4-pentadienylidene]-1,3-diethyldihydro-2-thioxo-, 5,5'-(Penta-1,3-dien-1-yl-5-ylidene)bis(1,3-diethyl-2-thiobarbituric) acid
| Molecular Formula | C21H26N4O4S2 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.13956 |
| Heavy Atoms | 31 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 24765-31-9 |
|---|---|
| SMILES | CCN1C(=O)C(C(=O)N(C1=S)CC)C=CC=CC=C2C(=O)N(C(=S)N(C2=O)CC)CC |
| InChIKey | CDNUBETVVAAMOZ-UHFFFAOYSA-N |
Product Overview
RefChem:507884 (CAS 24765-31-9), with molecular formula C21H26N4O4S2 and molecular weight 462.14 g/mol. IUPAC: 5-[5-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:507884
Property Insights of RefChem:507884
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:507884. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:507884 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:507884 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:507884?
The CAS number of RefChem:507884 is 24765-31-9.
What is the molecular formula of RefChem:507884?
The molecular formula of RefChem:507884 is C21H26N4O4S2.
What is the molecular weight of RefChem:507884?
The molecular weight of RefChem:507884 is 462.14 g/mol.
Where can I buy RefChem:507884?
You can request a quote for RefChem:507884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:507884?
Yes, KEHONG BIO provides custom synthesis services for RefChem:507884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.